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BioLiP

PDB CCD ID: YPR
Number of entries in BioLiP: 0
Chemical formula: C21 H20 N2 O4
InChI: InChI=1S/C21H20N2O4/c1-26-14-7-8-16-18(9-14)23-17(13-5-3-2-4-6-13)11-20(16)27-15-10-19(21(24)25)22-12-15/h2-9,11,15,19,22H,10,12H2,1H3,(H,24,25)/t15-,19+/m1/s1
InChIKey: GCPWMVSFJGFCCB-BEFAXECRSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C4NCC(Oc1cc(nc2c1ccc(OC)c2)c3ccccc3)C4
OpenEye OEToolkits 1.7.6COc1ccc2c(c1)nc(cc2OC3CC(NC3)C(=O)O)c4ccccc4
CACTVS 3.370COc1ccc2c(O[CH]3CN[CH](C3)C(O)=O)cc(nc2c1)c4ccccc4
OpenEye OEToolkits 1.7.6COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4
CACTVS 3.370COc1ccc2c(O[C@H]3CN[C@@H](C3)C(O)=O)cc(nc2c1)c4ccccc4
Name:(4R)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-proline
ZINC: ZINC000098209650
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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